SCHEMBL3688563

SCHEMBL3688563

CC(=O)N(CCN(C)C)c1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
PTPN5 P54829 1/20 0.41
MEN1 O00255 2/20 0.41
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3688559 1.00 MAPT (0.47) MAPTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3687525 0.87 MAPT (0.50) MAPTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL5915668 0.79 MAPT (0.53) MAPTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL4846787 0.79 BCHE (0.61) MAPTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3681611 0.79 MAPT (0.51) MAPTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL3686656 0.78 ALDH1A1 (0.52) MAPTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1225557 0.78 LMNA (0.65) MAPTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL1225556 0.78 LMNA (0.65) MAPTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL4695343 0.77 BACE1 (0.55) MAPTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL4695341 0.77 BACE1 (0.55) MAPTALDH1A1POLBSMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO claimed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed